HRID136282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID26255

Tetrafluoroborate

BF4-

HCID77698

alpha-Methoxyacetophenone

C9H10O2

结构：CCOC(=O)C(=CC=C(SC)C(=O)c1ccccc1)N(C)C

HCID44325574

未命名化合物

HCID86743576

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=CC=C(OC)C(=O)c1ccccc1)N(C)C

HCID53661101

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3be1625b0208450f811f60c646eaa655
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[B-:23]([F:24])([F:25])([F:26])[F:27].[CH3:28][N:29]([CH3:30])[C:31](=[CH:35][CH:38]=[N+:39]([CH3:40])[CH3:41])[C:36]([O:32][CH2:33][CH3:34])=[O:37].[CH3:42][O:43][CH2:44][C:45]([c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)=[O:52].[CH3:53][CH2:54][OH:55].[c:1]1([C:7]([C:8](=[CH:9][CH:10]=[C:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[N:17]([CH3:18])[CH3:19])[S:20][CH3:21])=[O:22])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]([C:8](=[CH:9][CH:10]=[C:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[N:17]([CH3:18])[CH3:19])[O:37][CH3:36])=[O:22])[cH:2][cH:3][cH:4][cH:5][cH:6]1